7-[(4-nitrophenyl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(4-nitrophenyl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-nitrophenyl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(4-nitrophenyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-nitrophenyl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(4-nitrophenyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C13H10N3O3S2+ MolecularWeight: 320.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C13H9N3O3S2/c17-12-7-9(14-13-15(12)5-6-20-13)8-21-11-3-1-10(2-4-11)16(18)19/h1-7H,8H2/p+1